SCHEMBL21322119

SCHEMBL21322119

O=C(CCOCc1ccccc1)N1CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.60
NPC1 O15118 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
TEAD3 Q99594 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
ME2 P23368 1/20 0.51
ME1 P48163 1/20 0.51
ME3 Q16798 1/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
FKBP1A P62942 1/20 0.50
TSHR P16473 1/20 0.49
POLB P06746 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6119956 0.84 NPC1 (0.65) GRM5NPC1TDP1TEAD3MAPT
SCHEMBL7280507 0.81 GRM5 (0.70) GRM5NPC1TDP1L3MBTL1ME2
SCHEMBL30860040 0.80 TIPARP (0.52) GRM5
SCHEMBL8646464 0.80 SPHK1 (0.45) GRM5NPC1TDP1TEAD3L3MBTL1
SCHEMBL24706552 0.79 L3MBTL1 (0.55) GRM5NPC1L3MBTL1GAAMAPT
SCHEMBL11271699 0.79 NOTUM (0.63) GRM5NPC1TDP1L3MBTL1ME2
SCHEMBL23693070 0.78 L3MBTL1 (0.62) GRM5NPC1TDP1L3MBTL1GAA
SCHEMBL508419 0.78 TSHR (0.56) TDP1L3MBTL1MAPTTSHR
SCHEMBL7708032 0.78 TSHR (0.56) TDP1L3MBTL1TSHR
SCHEMBL24706551 0.78 L3MBTL1 (0.61) NPC1L3MBTL1GAAMAPTTSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2511266-B1 LUMINESCENT 1-HYDROXY-2-PYRIDINONE CHELATES OF LANTHANIDES UNIV CALIFORNIA (US) 2019-09-04 EP disclosed